molecule	E(CC_2)	E(CC_3)	E(CC_5<CC_5>2)	E(CN_1)	E(CN_3)	E(CO_1)	E(CO_2)	E(CS_1)	E(NN_2)	E(NO_1)	E(NO_5)	electrostatic	CC_1<CC_2>1	CC_1<CC_2>1<CN_3>1	CC_1<CC_2>1<CO_1>1<CO_2>1	CC_1<CC_5>2	CC_1<CN_1>1	CC_1<CN_1>1<CO_2>1	CC_1<CN_1>2	CC_1<CN_3>1	CC_1<CN_3>2	CC_1<CO_1>1	CC_1<CO_1>1<CO_2>1	CC_1<CO_1>2	CC_1<CO_2>1	CC_1<CS_1>1	CC_2	CC_3	CC_5<CC_5>2	CN_1	CN_3	CO_1	CO_2	CS_1	NN_2	NO_1	NO_5	HHH21-H6	HHH6-H6	HNH6-N61	HNH6-N8	HNH6-N9	HOH21-O7	HOH6-O6	HOH6-O7	NNN61-N61	NNN8-N8	NON8-O6	NON8-O7	OOO6-O6	OOO6-O7	OOO7-O7	Y	COEF1	diagS	sqrtdiag	SE
methane	0	0	0	0	0	0	0	0	0	0	0	-0.479801855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.01	0.735381223	0.042559396	0.206299287	2.202982188
ethane	0	0	0	0	0	0	0	0	0	0	0	-0.113903972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0000937	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.201856974	604.6364575	0.233670337	0.483394597	5.161964956
propane	0	0	0	0	0	0	0	0	0	0	0	-0.498210863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000159965	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.563507669	829.8854425	0.171248183	0.413821438	4.419022829
n-butane	0	0	0	0	0	0	0	0	0	0	0	-0.628676379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000223838	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.236436515	507.6982069	0.011435469	0.106936754	1.141932034
2-methylpropane	0	0	0	0	0	0	0	0	0	0	0	-1.250133992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000188687	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.966953864	293.2258659	0.162212801	0.402756503	4.300865099
n-pentane	0	0	0	0	0	0	0	0	0	0	0	-0.382054234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00028631	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.946813757	867.1257391	0.845936655	0.919748148	9.821598612
2-methylbutane	0	0	0	0	0	0	0	0	0	0	0	-1.13172964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000305455	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.833061345	373.6675691	0.182972311	0.427752628	4.567788068
2,2-dimethylpropane	0	0	0	0	0	0	0	0	0	0	0	-1.900777251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000174733	0	0	0	0	0	0	0	0	0	0	0	0	0	0.411447403	787.0359949	0.328200593	0.572887941	6.117626245
n-hexane	0	0	0	0	0	0	0	0	0	0	0	-0.584838482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000350513	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.322921547	285.5459098	0.743033206	0.861993739	9.204863888
2-methylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.094033361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00037485	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.005766138	534.7130939	357.7712261	18.91484142	201.9835329
3-methylpentane	0	0	0	0	0	0	0	0	0	0	0	-0.609745992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000450178	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.753477805	308.1821261	2.08041536	1.442364503	15.40239601
2,2-dimethylbutane	0	0	0	0	0	0	0	0	0	0	0	-1.695843651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000344353	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.086789893	387.3796806	0.527910214	0.726574301	7.758777401
2,3-dimethylbutane_gauche	0	0	0	0	0	0	0	0	0	0	0	-1.511391907	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000434718	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.898139222	-2.607548024	0.015588964	0.124855774	1.333281615
n-heptane	0	0	0	0	0	0	0	0	0	0	0	-0.586152133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000417203	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.800129405	29.7290267	1.954475449	1.398025554	14.92891926
2-methylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.458938073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000438348	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.33195312	-241.5322135	33.71769282	5.806693794	62.00720909
3-methylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.024382088	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000531943	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.18366164	-196.3054741	104.2265718	10.20914158	109.0190733
3-ethylpentane	0	0	0	0	0	0	0	0	0	0	0	-0.579437061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000604507	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.890011944	57.503125	1.493296613	1.222005161	13.04927248
2,2-dimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.644479569	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000416969	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.160234779	60.808357	4.912089652	2.216323454	23.6671739
2,3-dimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.483274328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000595287	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.123096138	84.0132483	17.80222621	4.219268445	45.05577011
2,4-dimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-2.04986173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000468731	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.20338514	1088.102487	670.5294828	25.89458404	276.5172306
3,3-dimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.44056508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000515976	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.704278928	-133.6004207	25.80335169	5.079699961	54.24395167
2,2,3-trimethylbutane	0	0	0	0	0	0	0	0	0	0	0	-2.091717749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000563285	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.262133318	-132.3938419	37.50027092	6.123746478	65.39287962
n-octane	0	0	0	0	0	0	0	0	0	0	0	-0.51394544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000481506	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.015881354	100.6358091	2.652982179	1.628797771	17.39323745
2-methylheptane	0	0	0	0	0	0	0	0	0	0	0	-1.241978767	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000503237	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.000052034	-49.56297396	17.82266028	4.221689269	45.08162105
3-methylheptane	0	0	0	0	0	0	0	0	0	0	0	-1.070724565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000596852	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.832873788	2098.892188	7053.180955	83.98321829	896.8210071
4-methylheptane	0	0	0	0	0	0	0	0	0	0	0	-0.973838046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000599465	0	0	0	0	0	0	0	0	0	0	0	0	0	-11.23699456	99.86063292	7.643910517	2.764762289	29.52371856
3-ethylhexane	0	0	0	0	0	0	0	0	0	0	0	-0.732283799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000672977	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.32639465	66.3188729	5.242421146	2.289633409	24.45001967
2,2-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-2.090231262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000482392	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.007334797	93.38563828	17.93157728	4.234569314	45.21916157
2,3-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.387071702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000670822	0	0	0	0	0	0	0	0	0	0	0	0	0	-13.02325572	-3784.508275	75313.57947	274.4331967	2930.555186
2,4-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.857526079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000620244	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.560451658	20.03760854	3.055238407	1.747924028	18.66533599
2,5-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-2.034959322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000515657	0	0	0	0	0	0	0	0	0	0	0	0	0	-3.978263426	12.98974199	7.089376015	2.662588217	28.43264518
3,3-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.389059553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00058779	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.76813376	573192.5478	1044126680	32312.94911	345056.2166
3,4-dimethylhexane	0	0	0	0	0	0	0	0	0	0	0	-1.320912716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000743666	0	0	0	0	0	0	0	0	0	0	0	0	0	-16.57535552	135.3670714	5.204903106	2.281425674	24.36237277
3-ethyl-2-methylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.340553168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000763164	0	0	0	0	0	0	0	0	0	0	0	0	0	-17.00793932	934.0157505	56.80417661	7.536854557	80.48285874
3-ethyl-3-methylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.076534249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000730045	0	0	0	0	0	0	0	0	0	0	0	0	0	-12.77646308	139.7269203	911.4888868	30.19087423	322.3954831
2,2,3-trimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.911473645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000730713	0	0	0	0	0	0	0	0	0	0	0	0	0	-18.06354673	206.1914812	6622.985066	81.3817244	869.0407622
2,2,4-trimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-3.001056746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000511081	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.97316922	-22.46187424	49.83585854	7.059451717	75.38487721
2,3,3-trimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-2.120697652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000740087	0	0	0	0	0	0	0	0	0	0	0	0	0	-17.87768956	-316.7113825	47.98392187	6.927042794	73.97093873
2,3,4-trimethylpentane	0	0	0	0	0	0	0	0	0	0	0	-1.867511889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000787317	0	0	0	0	0	0	0	0	0	0	0	0	0	-15.54711247	-128298.3042	9605279.022	3099.238458	33095.44707
2,2,3,3-tetramethylbutane	0	0	0	0	0	0	0	0	0	0	0	-2.825158717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000871059	0	0	0	0	0	0	0	0	0	0	0	0	0	-15.51448733	-25694.54676	55712.452	236.0348534	2520.515637
ethene	1	0	0	0	0	0	0	0	0	0	0	-0.208437076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.144843475	0	0	0	0	0	0	0	0	0	0	0	0.000046	0	0	0	0	0	0	0	0	0	0	0	0	0	589.36	-5015343.871	57423547568	239632.1088	2558929.195
propene	1	0	0	0	0	0	0	0	0	0	0	-0.438428836	-0.182330234	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.133612477	0	0	0	0	0	0	0	0	0	0	0	0.0000752	0	0	0	0	0	0	0	0	0	0	0	0	0	585.39	-28.34551986	3088.395746	55.57333664	593.443985
but-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.373226029	-0.12976826	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.105968247	0	0	0	0	0	0	0	0	0	0	0	0.000142852	0	0	0	0	0	0	0	0	0	0	0	0	0	589.4508587	-160958.5093	1173215707	34252.23653	365765.0408
cis-but-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.185220038	-0.324805113	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.129746982	0	0	0	0	0	0	0	0	0	0	0	0.000237156	0	0	0	0	0	0	0	0	0	0	0	0	0	576.02	2778.423467	6012.949899	77.5432131	828.0509355
trans-but-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.542478976	-0.347358948	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.138424844	0	0	0	0	0	0	0	0	0	0	0	0.000105593	0	0	0	0	0	0	0	0	0	0	0	0	0	580.32	960.6722773	992.9786031	31.51156301	336.4985559
2-methylpropene	1	0	0	0	0	0	0	0	0	0	0	-1.327657867	-0.300509036	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.120817994	0	0	0	0	0	0	0	0	0	0	0	0.0000749	0	0	0	0	0	0	0	0	0	0	0	0	0	585.82	2338.525856	1262.31833	35.52911947	379.4003297
pent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.461748681	-0.06912117	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.081932901	0	0	0	0	0	0	0	0	0	0	0	0.000205147	0	0	0	0	0	0	0	0	0	0	0	0	0	590.2245216	-124644.1466	7518010.834	2741.899129	29279.57261
cis-pent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.626083909	-0.217096862	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.116937328	0	0	0	0	0	0	0	0	0	0	0	0.000310101	0	0	0	0	0	0	0	0	0	0	0	0	0	581.6874577	49245.15987	844993.5216	919.2352918	9816.122041
trans-pent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.457651602	-0.260849123	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.11457649	0	0	0	0	0	0	0	0	0	0	0	0.000174092	0	0	0	0	0	0	0	0	0	0	0	0	0	585.3110163	-88503.11477	2637901.063	1624.161649	17343.73028
2-methyl-but-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.772094061	-0.236049415	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.101778782	0	0	0	0	0	0	0	0	0	0	0	0.000179201	0	0	0	0	0	0	0	0	0	0	0	0	0	588.127017				
3-methyl-but-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.144618563	-0.125298055	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.093597914	0	0	0	0	0	0	0	0	0	0	0	0.000171457	0	0	0	0	0	0	0	0	0	0	0	0	0	595.0546816				
2-methyl-but-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.949008896	-0.41956525	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.131377047	0	0	0	0	0	0	0	0	0	0	0	0.000283406	0	0	0	0	0	0	0	0	0	0	0	0	0	574.15				
hex-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.507061277	-0.069141148	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.047773385	0	0	0	0	0	0	0	0	0	0	0	0.000269773	0	0	0	0	0	0	0	0	0	0	0	0	0	592.8349193				
cis-hex-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.665107111	-0.18660477	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.103469901	0	0	0	0	0	0	0	0	0	0	0	0.000366439	0	0	0	0	0	0	0	0	0	0	0	0	0	584.1255455				
trans-hex-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.665692249	-0.150279949	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.091539364	0	0	0	0	0	0	0	0	0	0	0	0.000236018	0	0	0	0	0	0	0	0	0	0	0	0	0	586.1300877				
cis-hex-3-ene	1	0	0	0	0	0	0	0	0	0	0	-0.633392673	-0.175457981	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.121450375	0	0	0	0	0	0	0	0	0	0	0	0.00037266	0	0	0	0	0	0	0	0	0	0	0	0	0	587.0008996				
trans-hex-3-ene	1	0	0	0	0	0	0	0	0	0	0	-0.367460173	-0.140970854	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.115469693	0	0	0	0	0	0	0	0	0	0	0	0.000242168	0	0	0	0	0	0	0	0	0	0	0	0	0	592.0216089				
2-methylpent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.993895702	-0.168383921	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.08591098	0	0	0	0	0	0	0	0	0	0	0	0.000241464	0	0	0	0	0	0	0	0	0	0	0	0	0	591.2935102				
3-methylpent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.001725277	-0.067365609	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.068700754	0	0	0	0	0	0	0	0	0	0	0	0.000244016	0	0	0	0	0	0	0	0	0	0	0	0	0	594.7386396				
4-methylpent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.147063986	-0.070459957	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.044930851	0	0	0	0	0	0	0	0	0	0	0	0.000242609	0	0	0	0	0	0	0	0	0	0	0	0	0	592.6594058				
2-methylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-1.413583112	-0.321523049	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.124333908	0	0	0	0	0	0	0	0	0	0	0	0.000350773	0	0	0	0	0	0	0	0	0	0	0	0	0	583.8263802				
cis-3-methylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.417237096	-0.371821095	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.118702581	0	0	0	0	0	0	0	0	0	0	0	0.000401375	0	0	0	0	0	0	0	0	0	0	0	0	0	578.7416825				
trans-3-methylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-0.870246291	-0.335442663	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.12494203	0	0	0	0	0	0	0	0	0	0	0	0.000328019	0	0	0	0	0	0	0	0	0	0	0	0	0	579.9605904				
cis-4-methylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-1.604378586	-0.207161436	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.107940733	0	0	0	0	0	0	0	0	0	0	0	0.00034357	0	0	0	0	0	0	0	0	0	0	0	0	0	589.5672966
trans-4-methylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-1.101776625	-0.123097657	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.099511857	0	0	0	0	0	0	0	0	0	0	0	0.000203109	0	0	0	0	0	0	0	0	0	0	0	0	0	592.2256105
2-ethylbut-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.714205857	-0.247972305	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.096769086	0	0	0	0	0	0	0	0	0	0	0	0.000272341	0	0	0	0	0	0	0	0	0	0	0	0	0	594.1362004
2,3-dimethylbut-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.393637905	-0.211862545	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.092348975	0	0	0	0	0	0	0	0	0	0	0	0.000271689	0	0	0	0	0	0	0	0	0	0	0	0	0	592.8217675
3,3-dimethylbut-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.798574042	-0.126768823	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.086615778	0	0	0	0	0	0	0	0	0	0	0	0.0002076	0	0	0	0	0	0	0	0	0	0	0	0	0	597.3864025
2,3-dimethylbut-2-ene	1	0	0	0	0	0	0	0	0	0	0	-1.308110198	-0.442382315	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.133382456	0	0	0	0	0	0	0	0	0	0	0	0.000774278	0	0	0	0	0	0	0	0	0	0	0	0	0	564.08
hept-1-ene	1	0	0	0	0	0	0	0	0	0	0	-0.489993289	-0.069412851	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.028250719	0	0	0	0	0	0	0	0	0	0	0	0.000334177	0	0	0	0	0	0	0	0	0	0	0	0	0	587.8006767
5-methylhex-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.084084295	-0.070805757	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.088100793	0	0	0	0	0	0	0	0	0	0	0	0.000356629	0	0	0	0	0	0	0	0	0	0	0	0	0	585.5212113
cis-3-methylhex-3-ene	1	0	0	0	0	0	0	0	0	0	0	-0.854850081	-0.317446738	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.128079835	0	0	0	0	0	0	0	0	0	0	0	0.000377799	0	0	0	0	0	0	0	0	0	0	0	0	0	580.4142484
trans-3-methylhex-3-ene	1	0	0	0	0	0	0	0	0	0	0	-0.884478141	-0.323880775	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.119935943	0	0	0	0	0	0	0	0	0	0	0	0.0004601	0	0	0	0	0	0	0	0	0	0	0	0	0	578.9314935
2,4-dimethylpent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-2.226445876	-0.146544427	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.062756135	0	0	0	0	0	0	0	0	0	0	0	0.00029185	0	0	0	0	0	0	0	0	0	0	0	0	0	588.3735713
4,4-dimethylpent-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.776101504	-0.071172081	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.036882545	0	0	0	0	0	0	0	0	0	0	0	0.000270282	0	0	0	0	0	0	0	0	0	0	0	0	0	592.7799293
cis-4,4-dimethylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-2.647591578	-0.233698016	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.103734344	0	0	0	0	0	0	0	0	0	0	0	0.000429432	0	0	0	0	0	0	0	0	0	0	0	0	0	576.426991
trans-4,4-dimethylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-1.799503214	-0.188821253	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.092462525	0	0	0	0	0	0	0	0	0	0	0	0.000244087	0	0	0	0	0	0	0	0	0	0	0	0	0	590.3886326
2,4-dimethylpent-2-ene	1	0	0	0	0	0	0	0	0	0	0	-2.086421147	-0.238791424	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.115489963	0	0	0	0	0	0	0	0	0	0	0	0.000395451	0	0	0	0	0	0	0	0	0	0	0	0	0	582.922435
2-ethyl-3-methylbut-1-ene	1	0	0	0	0	0	0	0	0	0	0	-1.431228733	-0.250147336	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.090004505	0	0	0	0	0	0	0	0	0	0	0	0.000361822	0	0	0	0	0	0	0	0	0	0	0	0	0	594.3162699
2,3,3-trimethylbut-1-ene	1	0	0	0	0	0	0	0	0	0	0	-2.092915829	-0.21395923	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.088061312	0	0	0	0	0	0	0	0	0	0	0	0.000398421	0	0	0	0	0	0	0	0	0	0	0	0	0	585.8729619
ethyne	0	1	0	0	0	0	0	0	0	0	0	-0.138796933	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000000624	0	0	0	0	0	0	0	0	0	0	0	0	0	809.4
propyne	0	1	0	0	0	0	0	0	0	0	0	-0.503813682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9.74E-08	0	0	0	0	0	0	0	0	0	0	0	0	0	830.9198861
but-1-yne	0	1	0	0	0	0	0	0	0	0	0	-0.274679945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.0000009	0	0	0	0	0	0	0	0	0	0	0.0000686	0	0	0	0	0	0	0	0	0	0	0	0	0	829.5960855
but-2-yne	0	1	0	0	0	0	0	0	0	0	0	-0.319516716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.003901436	0	0	0	0	0	0	0	0	0	0	3.19E-08	0	0	0	0	0	0	0	0	0	0	0	0	0	846.1846032
pent-1-yne	0	1	0	0	0	0	0	0	0	0	0	-0.431628055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.00000167	0	0	0	0	0	0	0	0	0	0	0.000129257	0	0	0	0	0	0	0	0	0	0	0	0	0	829.010569
pent-2-yne	0	1	0	0	0	0	0	0	0	0	0	-0.480386389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.00000374	0	0	0	0	0	0	0	0	0	0	0.0000688	0	0	0	0	0	0	0	0	0	0	0	0	0	846.7101686
3-methylbut-1-yne	0	1	0	0	0	0	0	0	0	0	0	-0.887835958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.0000183	0	0	0	0	0	0	0	0	0	0	0.0000992	0	0	0	0	0	0	0	0	0	0	0	0	0	833.9209504
3,3-dimethylbut-1-yne	0	1	0	0	0	0	0	0	0	0	0	-1.666571493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.00000232	0	0	0	0	0	0	0	0	0	0	0.0000874	0	0	0	0	0	0	0	0	0	0	0	0	0	834.689568
methanol	0	0	0	0	0	1	0	0	0	0	0	-0.360331972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.244874225	0	0	0	0	0	0.0000595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328.2335
ethanol	0	0	0	0	0	1	0	0	0	0	0	-0.724405277	0	0	0	0	0	0	0	0	0	-0.188893119	0	0	0	0	0	0	0	0	0	-0.242087349	0	0	0	0	0	0.000048	0.0000697	0	0	0	0	0.005595359	0	0	0	0	0	0	0	0	325.4635
1-propanol	0	0	0	0	0	1	0	0	0	0	0	-0.778513161	0	0	0	0	0	0	0	0	0	-0.11050193	0	0	0	0	0	0	0	0	0	-0.255507934	0	0	0	0	0	0.0000595	0.000131232	0	0	0	0	0.007355506	0	0	0	0	0	0	0	0	330.9935429
1-butanol	0	0	0	0	0	1	0	0	0	0	0	-0.611051426	0	0	0	0	0	0	0	0	0	-0.110571938	0	0	0	0	0	0	0	0	0	-0.237485452	0	0	0	0	0	0.0000598	0.000196744	0	0	0	0	0.007385084	0	0	0	0	0	0	0	0	328.7668923
1-pentanol	0	0	0	0	0	1	0	0	0	0	0	-0.72151797	0	0	0	0	0	0	0	0	0	-0.086731571	0	0	0	0	0	0	0	0	0	-0.201234928	0	0	0	0	0	0.0000598	0.000261063	0	0	0	0	0.007402872	0	0	0	0	0	0	0	0	329.3186937
1-hexanol	0	0	0	0	0	1	0	0	0	0	0	-0.802603431	0	0	0	0	0	0	0	0	0	-0.068659374	0	0	0	0	0	0	0	0	0	-0.188664217	0	0	0	0	0	0.0000598	0.000325687	0	0	0	0	0.007409144	0	0	0	0	0	0	0	0	326.9387601
1-heptanol	0	0	0	0	0	1	0	0	0	0	0	-0.724694356	0	0	0	0	0	0	0	0	0	-0.071490744	0	0	0	0	0	0	0	0	0	-0.168453436	0	0	0	0	0	0.0000599	0.00038991	0	0	0	0	0.007415816	0	0	0	0	0	0	0	0	328.1958317
1-octanol	0	0	0	0	0	1	0	0	0	0	0	-0.844663289	0	0	0	0	0	0	0	0	0	-0.022924792	0	0	0	0	0	0	0	0	0	-0.229099643	0	0	0	0	0	0.0000507	0.000453379	0	0	0	0	0.005801683	0	0	0	0	0	0	0	0	324.4915747
1-nonanol	0	0	0	0	0	1	0	0	0	0	0	-0.852871424	0	0	0	0	0	0	0	0	0	-0.048106065	0	0	0	0	0	0	0	0	0	-0.210072861	0	0	0	0	0	0.0000601	0.00051909	0	0	0	0	0.007418941	0	0	0	0	0	0	0	0	326.6704266
1-decanol	0	0	0	0	0	1	0	0	0	0	0	-0.804993017	0	0	0	0	0	0	0	0	0	-0.040763662	0	0	0	0	0	0	0	0	0	-0.210746058	0	0	0	0	0	0.00006	0.000583296	0	0	0	0	0.00740072	0	0	0	0	0	0	0	0	324.6709419
1-dodecanol	0	0	0	0	0	1	0	0	0	0	0	-0.880771347	0	0	0	0	0	0	0	0	0	-0.020030734	0	0	0	0	0	0	0	0	0	-0.198384992	0	0	0	0	0	0.0000599	0.000712051	0	0	0	0	0.007415206	0	0	0	0	0	0	0	0	322.93117
1-tetradecanol	0	0	0	0	0	1	0	0	0	0	0	-0.895152266	0	0	0	0	0	0	0	0	0	-0.048800048	0	0	0	0	0	0	0	0	0	-0.170753235	0	0	0	0	0	0.0000599	0.000840847	0	0	0	0	0.007411596	0	0	0	0	0	0	0	0	322.3949359
1-hexadecanol	0	0	0	0	0	1	0	0	0	0	0	-0.922169703	0	0	0	0	0	0	0	0	0	-0.028212331	0	0	0	0	0	0	0	0	0	-0.159656132	0	0	0	0	0	0.0000599	0.000969517	0	0	0	0	0.007412226	0	0	0	0	0	0	0	0	314.7719833
2-methyl-1-propanol	0	0	0	0	0	1	0	0	0	0	0	-1.300025446	0	0	0	0	0	0	0	0	0	-0.078749548	0	0	0	0	0	0	0	0	0	-0.232836517	0	0	0	0	0	0.0000606	0.000164305	0	0	0	0	0.009670822	0	0	0	0	0	0	0	0	337.2557433
2-methyl-1-butanol	0	0	0	0	0	1	0	0	0	0	0	-1.019137845	0	0	0	0	0	0	0	0	0	-0.071704873	0	0	0	0	0	0	0	0	0	-0.222808175	0	0	0	0	0	0.0000612	0.000288586	0	0	0	0	0.012198202	0	0	0	0	0	0	0	0	333.1922268
2-ethyl-1-hexanol	0	0	0	0	0	1	0	0	0	0	0	-1.214099606	0	0	0	0	0	0	0	0	0	-0.064958262	0	0	0	0	0	0	0	0	0	-0.207452206	0	0	0	0	0	0.0000624	0.000559556	0	0	0	0	0.010984739	0	0	0	0	0	0	0	0	329.4681789
3-methyl-1-butanol	0	0	0	0	0	1	0	0	0	0	0	-1.252028928	0	0	0	0	0	0	0	0	0	-0.099883793	0	0	0	0	0	0	0	0	0	-0.211780627	0	0	0	0	0	0.0000611	0.000272395	0	0	0	0	0.0078649	0	0	0	0	0	0	0	0	327.7879473
2-propanol	0	0	0	0	0	1	0	0	0	0	0	-1.391360401	0	0	0	0	0	0	0	0	0	-0.303713369	0	0	0	0	0	0	0	0	0	-0.254356684	0	0	0	0	0	0.0000491	0.0000987	0	0	0	0	0.013357926	0	0	0	0	0	0	0	0	326.3935
2-butanol	0	0	0	0	0	1	0	0	0	0	0	-1.249826701	0	0	0	0	0	0	0	0	0	-0.258963301	0	0	0	0	0	0	0	0	0	-0.240755744	0	0	0	0	0	0.0000507	0.000164919	0	0	0	0	0.015637346	0	0	0	0	0	0	0	0	332.3954281
2-pentanol	0	0	0	0	0	1	0	0	0	0	0	-1.159665402	0	0	0	0	0	0	0	0	0	-0.104573964	0	0	0	0	0	0	0	0	0	-0.212442798	0	0	0	0	0	0.0000507	0.000227288	0	0	0	0	0.015751764	0	0	0	0	0	0	0	0	328.0996586
3-pentanol	0	0	0	0	0	1	0	0	0	0	0	-0.847407493	0	0	0	0	0	0	0	0	0	-0.2263649	0	0	0	0	0	0	0	0	0	-0.236537876	0	0	0	0	0	0.0000445	0.000227473	0	0	0	0	0.015977145	0	0	0	0	0	0	0	0	334.6082165
2-hexanol	0	0	0	0	0	1	0	0	0	0	0	-1.450165668	0	0	0	0	0	0	0	0	0	-0.08804032	0	0	0	0	0	0	0	0	0	-0.186011679	0	0	0	0	0	0.0000507	0.000291827	0	0	0	0	0.015802778	0	0	0	0	0	0	0	0	330.6519871
3-methyl-2-butanol	0	0	0	0	0	1	0	0	0	0	0	-1.659060836	0	0	0	0	0	0	0	0	0	-0.181386805	0	0	0	0	0	0	0	0	0	-0.226681532	0	0	0	0	0	0.0000498	0.000251221	0	0	0	0	0.017709723	0	0	0	0	0	0	0	0	329.8758877
2-methyl-2-propanol	0	0	0	0	0	1	0	0	0	0	0	-2.267023095	0	0	0	0	0	0	0	0	0	-0.376642235	0	0	0	0	0	0	0	0	0	-0.253601015	0	0	0	0	0	0.0000367	0.0000817	0	0	0	0	0.019618828	0	0	0	0	0	0	0	0	329.8235
2-methyl-2-butanol	0	0	0	0	0	1	0	0	0	0	0	-1.844570108	0	0	0	0	0	0	0	0	0	-0.32560443	0	0	0	0	0	0	0	0	0	-0.244084877	0	0	0	0	0	0.0000412	0.000196757	0	0	0	0	0.021757013	0	0	0	0	0	0	0	0	329.1203101
3-tert-butyl-2,2,4,4-tetramethyl-3-pentanol	0	0	0	0	0	1	0	0	0	0	0	-5.403894465	0	0	0	0	0	0	0	0	0	-0.178504334	0	0	0	0	0	0	0	0	0	-0.193874628	0	0	0	0	0	0.000210025	0.005311509	0	0	0	0	0.033530648	0	0	0	0	0	0	0	0	208.5578483
dimethyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.091091082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.415240595	0	0	0	0	0	0	0.0000323	0	0	0	0	0	0	0	0	0	0	0	0	0	679.393
methyl_ethyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.539647519	0	0	0	0	0	0	0	0	0	-0.172800485	0	0	0	0	0	0	0	0	0	-0.40436556	0	0	0	0	0	0	0.000103118	0	0	0	0	0.007104836	0	0	0	0	0	0	0	0	675.223
methyl_n-propyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.361125089	0	0	0	0	0	0	0	0	0	-0.125508221	0	0	0	0	0	0	0	0	0	-0.314894493	0	0	0	0	0	0	0.00016132	0	0	0	0	0.007233552	0	0	0	0	0	0	0	0	681.2736636
diethyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.615440143	0	0	0	0	0	0	0	0	0	-0.332470638	0	0	0	0	0	0	0	0	0	-0.413841234	0	0	0	0	0	0	0.000173728	0	0	0	0	0.014155291	0	0	0	0	0	0	0	0	674.453
methyl_n-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.371757472	0	0	0	0	0	0	0	0	0	-0.080926969	0	0	0	0	0	0	0	0	0	-0.344257834	0	0	0	0	0	0	0.000226652	0	0	0	0	0.007266917	0	0	0	0	0	0	0	0	681.7321025
ethyl_n-propyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.743720129	0	0	0	0	0	0	0	0	0	-0.281408693	0	0	0	0	0	0	0	0	0	-0.397074122	0	0	0	0	0	0	0.000231967	0	0	0	0	0.014276344	0	0	0	0	0	0	0	0	678.8384857
di-n-propyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.788293985	0	0	0	0	0	0	0	0	0	-0.22426478	0	0	0	0	0	0	0	0	0	-0.397834513	0	0	0	0	0	0	0.000289894	0	0	0	0	0.014405875	0	0	0	0	0	0	0	0	684.1382466
di-n-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-0.635094143	0	0	0	0	0	0	0	0	0	-0.138448183	0	0	0	0	0	0	0	0	0	-0.379473259	0	0	0	0	0	0	0.000420465	0	0	0	0	0.014509197	0	0	0	0	0	0	0	0	683.4172714
isopropyl_methyl_ether	0	0	0	0	0	2	0	0	0	0	0	-1.331770032	0	0	0	0	0	0	0	0	0	-0.289870937	0	0	0	0	0	0	0	0	0	-0.364891911	0	0	0	0	0	0	0.00016144	0	0	0	0	0.013224362	0	0	0	0	0	0	0	0	674.353
methyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.035409923	0	0	0	0	0	0	0	0	0	-0.317727443	0	0	0	0	0	0	0	0	0	-0.352586617	0	0	0	0	0	0	0.000175239	0	0	0	0	0.01935649	0	0	0	0	0	0	0	0	669.583
ethyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.192279174	0	0	0	0	0	0	0	0	0	-0.505022829	0	0	0	0	0	0	0	0	0	-0.390261776	0	0	0	0	0	0	0.000248209	0	0	0	0	0.026659053	0	0	0	0	0	0	0	0	663.313
methyl_tert-pentyl_ether	0	0	0	0	0	2	0	0	0	0	0	-1.700909826	0	0	0	0	0	0	0	0	0	-0.295282808	0	0	0	0	0	0	0	0	0	-0.321253946	0	0	0	0	0	0	0.000295833	0	0	0	0	0.021263697	0	0	0	0	0	0	0	0	676.4978149
diisopropyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.59257541	0	0	0	0	0	0	0	0	0	-0.581459452	0	0	0	0	0	0	0	0	0	-0.416058114	0	0	0	0	0	0	0.000278525	0	0	0	0	0.026740304	0	0	0	0	0	0	0	0	668.613
tert-butyl_isopropyl_ether	0	0	0	0	0	2	0	0	0	0	0	-3.190871432	0	0	0	0	0	0	0	0	0	-0.644278272	0	0	0	0	0	0	0	0	0	-0.391680623	0	0	0	0	0	0	0.00033495	0	0	0	0	0.032280721	0	0	0	0	0	0	0	0	671.043
di-sec-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-1.99100277	0	0	0	0	0	0	0	0	0	-0.354095975	0	0	0	0	0	0	0	0	0	-0.399157199	0	0	0	0	0	0	0.000436209	0	0	0	0	0.030632955	0	0	0	0	0	0	0	0	679.2730453
butyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.240765558	0	0	0	0	0	0	0	0	0	-0.50341998	0	0	0	0	0	0	0	0	0	-0.390561735	0	0	0	0	0	0	0.000371219	0	0	0	0	0.026857944	0	0	0	0	0	0	0	0	674.9597557
isobutyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.905900263	0	0	0	0	0	0	0	0	0	-0.468051394	0	0	0	0	0	0	0	0	0	-0.392516689	0	0	0	0	0	0	0.0003395	0	0	0	0	0.029048441	0	0	0	0	0	0	0	0	679.7912345
sec-butyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-3.083878065	0	0	0	0	0	0	0	0	0	-0.532383747	0	0	0	0	0	0	0	0	0	-0.396611825	0	0	0	0	0	0	0.000445641	0	0	0	0	0.033153977	0	0	0	0	0	0	0	0	676.2423143
di-tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-4.164561755	0	0	0	0	0	0	0	0	0	-0.713284998	0	0	0	0	0	0	0	0	0	-0.378754281	0	0	0	0	0	0	0.000457236	0	0	0	0	0.036904304	0	0	0	0	0	0	0	0	638.373
pentyl_tert-butyl_ether	0	0	0	0	0	2	0	0	0	0	0	-2.319871017	0	0	0	0	0	0	0	0	0	-0.431439478	0	0	0	0	0	0	0	0	0	-0.377363103	0	0	0	0	0	0	0.000435516	0	0	0	0	0.026873973	0	0	0	0	0	0	0	0	672.9259599
formaldehyde	0	0	0	0	0	0	1	0	0	0	0	-0.131630748	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.097459577	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	678.703
Ethanal	0	0	0	0	0	0	1	0	0	0	0	-0.617701806	0	0	0	0	0	0	0	0	0	0	0	0	-0.170671816	0	0	0	0	0	0	0	-0.0827786	0	0	0	0	0	0.000031	0	0	0	0	0	0.005730224	0	0	0	0	0	0	0	699.733
propanal	0	0	0	0	0	0	1	0	0	0	0	-0.385397716	0	0	0	0	0	0	0	0	0	0	0	0	-0.126228228	0	0	0	0	0	0	0	-0.088464967	0	0	0	0	0	0.0000982	0	0	0	0	0	0.007202245	0	0	0	0	0	0	0	701.8091558
butanal	0	0	0	0	0	0	1	0	0	0	0	-0.692777335	0	0	0	0	0	0	0	0	0	0	0	0	-0.14212407	0	0	0	0	0	0	0	-0.088612419	0	0	0	0	0	0.000159043	0	0	0	0	0	0.00736446	0	0	0	0	0	0	0	700.5027241
pentanal	0	0	0	0	0	0	1	0	0	0	0	-0.760236604	0	0	0	0	0	0	0	0	0	0	0	0	-0.106139613	0	0	0	0	0	0	0	-0.088857996	0	0	0	0	0	0.000223929	0	0	0	0	0	0.007395032	0	0	0	0	0	0	0	704.8251235
heptanal	0	0	0	0	0	0	1	0	0	0	0	-0.803569622	0	0	0	0	0	0	0	0	0	0	0	0	-0.095958501	0	0	0	0	0	0	0	-0.08541902	0	0	0	0	0	0.000352766	0	0	0	0	0	0.007406433	0	0	0	0	0	0	0	697.6569499
2-methylpropanal	0	0	0	0	0	0	1	0	0	0	0	-0.865805779	0	0	0	0	0	0	0	0	0	0	0	0	-0.109845693	0	0	0	0	0	0	0	-0.09016283	0	0	0	0	0	0.000128739	0	0	0	0	0	0.007342125	0	0	0	0	0	0	0	710.958676
2-ethylhexanal	0	0	0	0	0	0	1	0	0	0	0	-0.987807801	0	0	0	0	0	0	0	0	0	0	0	0	-0.093189292	0	0	0	0	0	0	0	-0.092643803	0	0	0	0	0	0.000496417	0	0	0	0	0	0.008871078	0	0	0	0	0	0	0	709.8455783
propanone	0	0	0	0	0	0	1	0	0	0	0	-1.657162423	0	0	0	0	0	0	0	0	0	0	0	0	-0.303100517	0	0	0	0	0	0	0	-0.070367681	0	0	0	0	0	0.0000207	0	0	0	0	0	0.012188324	0	0	0	0	0	0	0	714.263
2-butanone	0	0	0	0	0	0	1	0	0	0	0	-1.317355559	0	0	0	0	0	0	0	0	0	0	0	0	-0.138744582	0	0	0	0	0	0	0	-0.078165895	0	0	0	0	0	0.0000895	0	0	0	0	0	0.013622385	0	0	0	0	0	0	0	720.2131207
2-pentanone	0	0	0	0	0	0	1	0	0	0	0	-1.530669129	0	0	0	0	0	0	0	0	0	0	0	0	-0.18070603	0	0	0	0	0	0	0	-0.078966726	0	0	0	0	0	0.000149958	0	0	0	0	0	0.013781922	0	0	0	0	0	0	0	718.2759831
3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-0.683950514	0	0	0	0	0	0	0	0	0	0	0	0	-0.134366194	0	0	0	0	0	0	0	-0.085479926	0	0	0	0	0	0.000159405	0	0	0	0	0	0.014993284	0	0	0	0	0	0	0	705.9420758
3-methyl-2-butanone	0	0	0	0	0	0	1	0	0	0	0	-1.560110507	0	0	0	0	0	0	0	0	0	0	0	0	-0.157800205	0	0	0	0	0	0	0	-0.085974592	0	0	0	0	0	0.000142035	0	0	0	0	0	0.014231418	0	0	0	0	0	0	0	721.6291855
2-hexanone	0	0	0	0	0	0	1	0	0	0	0	-1.763676078	0	0	0	0	0	0	0	0	0	0	0	0	-0.159133088	0	0	0	0	0	0	0	-0.079967374	0	0	0	0	0	0.000214885	0	0	0	0	0	0.0138146	0	0	0	0	0	0	0	719.9250085
3-hexanone	0	0	0	0	0	0	1	0	0	0	0	-1.21957063	0	0	0	0	0	0	0	0	0	0	0	0	-0.20293019	0	0	0	0	0	0	0	-0.086014843	0	0	0	0	0	0.000219747	0	0	0	0	0	0.015145204	0	0	0	0	0	0	0	719.0880183
2-methyl-3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-1.09400673	0	0	0	0	0	0	0	0	0	0	0	0	-0.246304986	0	0	0	0	0	0	0	-0.093233843	0	0	0	0	0	0.000206034	0	0	0	0	0	0.015778198	0	0	0	0	0	0	0	726.8819423
3,3-dimethyl-2-butanone	0	0	0	0	0	0	1	0	0	0	0	-2.119285123	0	0	0	0	0	0	0	0	0	0	0	0	-0.221484723	0	0	0	0	0	0	0	-0.084211086	0	0	0	0	0	0.000185735	0	0	0	0	0	0.015044225	0	0	0	0	0	0	0	720.9432671
2,4-dimethyl-3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-1.603448873	0	0	0	0	0	0	0	0	0	0	0	0	-0.235491152	0	0	0	0	0	0	0	-0.098587003	0	0	0	0	0	0.000258221	0	0	0	0	0	0.016310071	0	0	0	0	0	0	0	731.1068313
2,2-dimethyl-3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-1.769584704	0	0	0	0	0	0	0	0	0	0	0	0	-0.244586352	0	0	0	0	0	0	0	-0.091023011	0	0	0	0	0	0.000259375	0	0	0	0	0	0.016678353	0	0	0	0	0	0	0	727.4530445
2,2,4-trimethyl-3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-2.083472285	0	0	0	0	0	0	0	0	0	0	0	0	-0.238977357	0	0	0	0	0	0	0	-0.112235275	0	0	0	0	0	0.000324844	0	0	0	0	0	0.018987205	0	0	0	0	0	0	0	731.4185837
2-nonanone	0	0	0	0	0	0	1	0	0	0	0	-1.762540166	0	0	0	0	0	0	0	0	0	0	0	0	-0.006172472	0	0	0	0	0	0	0	-0.078455203	0	0	0	0	0	0.000408389	0	0	0	0	0	0.013827999	0	0	0	0	0	0	0	716.5534157
5-nonanone	0	0	0	0	0	0	1	0	0	0	0	-2.095931307	0	0	0	0	0	0	0	0	0	0	0	0	-0.042862059	0	0	0	0	0	0	0	-0.087210025	0	0	0	0	0	0.000410275	0	0	0	0	0	0.015404651	0	0	0	0	0	0	0	725.0333933
2,6-dimethyl-4-heptanone	0	0	0	0	0	0	1	0	0	0	0	-3.24218179	0	0	0	0	0	0	0	0	0	0	0	0	-0.18656976	0	0	0	0	0	0	0	-0.089838285	0	0	0	0	0	0.000362109	0	0	0	0	0	0.020823047	0	0	0	0	0	0	0	726.8997451
2,2,4,4-tetramethyl-3-pentanone	0	0	0	0	0	0	1	0	0	0	0	-3.076160923	0	0	0	0	0	0	0	0	0	0	0	0	-0.234398862	0	0	0	0	0	0	0	-0.100854563	0	0	0	0	0	0.000568475	0	0	0	0	0	0.020213189	0	0	0	0	0	0	0	699.1880105
formic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.025026827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.182976865	-0.001776289	0	0	0	0	0.00000388	0	0	0	0	0.00514449	0	0	0	0	0	0	0	0	0	1150.3465
acetic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.802506507	0	0	0	0	0	0	0	0	0	0	-0.092306409	0	0	0	0	0	0	0	0	-0.112299114	-0.000622148	0	0	0	0	0.000000646	0	0	0	0	0.005794111	0.007286845	0.005522341	0	0	0	0	0	0	0	1167.9765
propanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.526179778	0	0	0	0	0	0	0	0	0	0	-0.114543053	0	0	0	0	0	0	0	0	-0.11083312	-0.006325187	0	0	0	0	0.000000673	0.0000631	0	0	0	0.005768968	0.007498131	0.006849095	0	0	0	0	0	0	0	1176.968819
butanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.787825269	0	0	0	0	0	0	0	0	0	0	-0.09408577	0	0	0	0	0	0	0	0	-0.111457065	-0.010296672	0	0	0	0	0.000000665	0.000124466	0	0	0	0.005786575	0.007475272	0.007029504	0	0	0	0	0	0	0	1172.597845
pentanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.989252846	0	0	0	0	0	0	0	0	0	0	-0.053762253	0	0	0	0	0	0	0	0	-0.126655629	-0.016637426	0	0	0	0	0.000000667	0.000189347	0	0	0	0.005782739	0.007507926	0.007066742	0	0	0	0	0	0	0	1172.35321
3-methylbutanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-2.626523919	0	0	0	0	0	0	0	0	0	0	-0.025289023	0	0	0	0	0	0	0	0	-0.134472247	-0.017871711	0	0	0	0	0.000000698	0.000162059	0	0	0	0.005852849	0.007823429	0.009752193	0	0	0	0	0	0	0	1182.957473
2,2-dimethylpropanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-2.340857104	0	0	0	0	0	0	0	0	0	0	-0.065654334	0	0	0	0	0	0	0	0	-0.176739624	-0.026396191	0	0	0	0	0.00000115	0.0000851	0	0	0	0.005988881	0.011142013	0.007291379	0	0	0	0	0	0	0	1164.700465
hexanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.769909163	0	0	0	0	0	0	0	0	0	0	-0.028405859	0	0	0	0	0	0	0	0	-0.121469807	-0.023466114	0	0	0	0	0.000000666	0.000253816	0	0	0	0.005777355	0.007509072	0.007077575	0	0	0	0	0	0	0	1168.583762
heptanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.840557396	0	0	0	0	0	0	0	0	0	0	-0.104748242	0	0	0	0	0	0	0	0	-0.043011481	-0.027606982	0	0	0	0	0.000000666	0.000318416	0	0	0	0.005780158	0.007508137	0.007083679	0	0	0	0	0	0	0	1173.562106
octanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.962247934	0	0	0	0	0	0	0	0	0	0	-0.072844572	0	0	0	0	0	0	0	0	-0.110475063	-0.023487203	0	0	0	0	0.000000666	0.000382908	0	0	0	0.005790247	0.007507069	0.007084499	0	0	0	0	0	0	0	1168.211635
2-ethylhexanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-2.094696323	0	0	0	0	0	0	0	0	0	0	-0.039468513	0	0	0	0	0	0	0	0	-0.168074586	-0.018210492	0	0	0	0	0.00000216	0.000373619	0	0	0	0.005995448	0.011815522	0.009876097	0	0	0	0	0	0	0	1174.028496
nonanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.810983898	0	0	0	0	0	0	0	0	0	0	-0.077773864	0	0	0	0	0	0	0	0	-0.111184277	-0.016233884	0	0	0	0	0.000000659	0.000446504	0	0	0	0.005869723	0.007446953	0.007152385	0	0	0	0	0	0	0	1166.611576
decanoic_acid	0	0	0	0	0	1	1	0	0	0	0	-1.892920213	0	0	0	0	0	0	0	0	0	0	-0.054426267	0	0	0	0	0	0	0	0	-0.110799419	-0.011011531	0	0	0	0	0.000000666	0.000511716	0	0	0	0.005804451	0.007506671	0.007078751	0	0	0	0	0	0	0	1167.742308
methyl_methanoate	0	0	0	0	0	2	1	0	0	0	0	-0.685289839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.31455109	-0.009205698	0	0	0	0	0	0.000000391	0	0	0	0	0	0.005166795	0	0	0	0	0	0	0	1497.606
propyl_methanoate	0	0	0	0	0	2	1	0	0	0	0	-1.123642434	0	0	0	0	0	0	0	0	0	-0.126307024	0	0	0	0	0	0	0	0	0	-0.255701032	-0.016903283	0	0	0	0	0	0.000126172	0	0	0	0	0.007145483	0.005207953	0	0	0	0	0	0	0	1550.79842
methyl_ethanoate	0	0	0	0	0	2	1	0	0	0	0	-1.794722993	0	0	0	0	0	0	0	0	0	0	-0.008225636	0	0	0	0	0	0	0	0	-0.282907875	-0.006973316	0	0	0	0	0	0.00000013	0	0	0	0	0.007312191	0.011086785	0	0	0	0	0	0	0	1517.036
ethyl_ethanoate	0	0	0	0	0	2	1	0	0	0	0	-1.905913238	0	0	0	0	0	0	0	0	0	-0.154959914	-0.007070636	0	0	0	0	0	0	0	0	-0.32203302	-0.00991475	0	0	0	0	0	0.0000662	0	0	0	0	0.014338447	0.01114752	0	0	0	0	0	0	0	1510.866
1-methylethyl_ethanoate	0	0	0	0	0	2	1	0	0	0	0	-2.694317566	0	0	0	0	0	0	0	0	0	-0.284107571	-0.123566308	0	0	0	0	0	0	0	0	-0.275906067	-0.001137352	0	0	0	0	0	0.0000962	0	0	0	0	0.020634254	0.013513894	0	0	0	0	0	0	0	1512.396
butyl_ethanoate	0	0	0	0	0	2	1	0	0	0	0	-1.975191633	0	0	0	0	0	0	0	0	0	-0.11783621	-0.057464261	0	0	0	0	0	0	0	0	-0.177810886	-0.015982296	0	0	0	0	0	0.000190894	0	0	0	0	0.01450171	0.011140719	0	0	0	0	0	0	0	1517.115524
ethyl_propanoate	0	0	0	0	0	2	1	0	0	0	0	-1.601552588	0	0	0	0	0	0	0	0	0	-0.143451477	-0.036808085	0	0	0	0	0	0	0	0	-0.164996753	-0.020047628	0	0	0	0	0	0.000129211	0	0	0	0	0.014524237	0.012506861	0	0	0	0	0	0	0	1515.229021
1-methylpropyl_butanoate	0	0	0	0	0	2	1	0	0	0	0	-2.372688444	0	0	0	0	0	0	0	0	0	-0.2422596	-0.053361237	0	0	0	0	0	0	0	0	-0.262760727	-0.028688603	0	0	0	0	0	0.000300314	0	0	0	0	0.022980596	0.017659848	0	0	0	0	0	0	0	1525.619821
methyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.161860502	0	0	0	0	0	0	0	0	0	0	-0.074349541	0	0	0	0	0	0	0	0	-0.186330249	-0.026385444	0	0	0	0	0	0.000189244	0	0	0	0	0.007520527	0.012635882	0	0	0	0	0	0	0	1519.09787
ethyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.144142692	0	0	0	0	0	0	0	0	0	-0.157887927	-0.076844333	0	0	0	0	0	0	0	0	-0.199905691	-0.028388173	0	0	0	0	0	0.000255116	0	0	0	0	0.014526814	0.012743758	0	0	0	0	0	0	0	1517.566511
propyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.311825382	0	0	0	0	0	0	0	0	0	-0.103634041	-0.07335417	0	0	0	0	0	0	0	0	-0.206233628	-0.030558789	0	0	0	0	0	0.000314636	0	0	0	0	0.014661994	0.012708945	0	0	0	0	0	0	0	1529.275489
1-methylethyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.891645523	0	0	0	0	0	0	0	0	0	-0.294361963	-0.068674728	0	0	0	0	0	0	0	0	-0.232038632	-0.024819559	0	0	0	0	0	0.000285038	0	0	0	0	0.020835427	0.01510411	0	0	0	0	0	0	0	1519.93285
butyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.358997453	0	0	0	0	0	0	0	0	0	-0.019297158	-0.028377328	0	0	0	0	0	0	0	0	-0.212324253	-0.032194447	0	0	0	0	0	0.000379735	0	0	0	0	0.014695343	0.012701188	0	0	0	0	0	0	0	1534.518211
1-methylpropyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.712352889	0	0	0	0	0	0	0	0	0	-0.209754101	-0.068876671	0	0	0	0	0	0	0	0	-0.259028558	-0.024069737	0	0	0	0	0	0.00035255	0	0	0	0	0.02271143	0.015216186	0	0	0	0	0	0	0	1533.751999
2-methylpropyl_pentanoate	0	0	0	0	0	2	1	0	0	0	0	-2.882171586	0	0	0	0	0	0	0	0	0	-0.10494028	-0.028986797	0	0	0	0	0	0	0	0	-0.246403738	-0.03117823	0	0	0	0	0	0.000347476	0	0	0	0	0.01664882	0.01277227	0	0	0	0	0	0	0	1542.66756
methyl_2-methylbutanoate	0	0	0	0	0	2	1	0	0	0	0	-1.526183593	0	0	0	0	0	0	0	0	0	0	-0.081920863	0	0	0	0	0	0	0	0	-0.150847376	-0.035303677	0	0	0	0	0	0.000168263	0	0	0	0	0.009524476	0.015437231	0	0	0	0	0	0	0	1537.190286
ethyl_2-methylbutanoate	0	0	0	0	0	2	1	0	0	0	0	-1.804087893	0	0	0	0	0	0	0	0	0	-0.160354567	-0.070266291	0	0	0	0	0	0	0	0	-0.160411973	-0.037007479	0	0	0	0	0	0.000234093	0	0	0	0	0.016540398	0.015531661	0	0	0	0	0	0	0	1528.206595
methyl_3-methylbutanoate	0	0	0	0	0	2	1	0	0	0	0	-2.81408361	0	0	0	0	0	0	0	0	0	0	-0.102663286	0	0	0	0	0	0	0	0	-0.149029438	-0.026614271	0	0	0	0	0	0.000162036	0	0	0	0	0.007847565	0.015355969	0	0	0	0	0	0	0	1539.253407
ethyl_3-methylbutanoate	0	0	0	0	0	2	1	0	0	0	0	-2.914029715	0	0	0	0	0	0	0	0	0	-0.156022566	-0.068814905	0	0	0	0	0	0	0	0	-0.157935626	-0.0287041	0	0	0	0	0	0.000227951	0	0	0	0	0.014863262	0.015449957	0	0	0	0	0	0	0	1531.53717
methyl_2,2-dimethylpropanoate	0	0	0	0	0	2	1	0	0	0	0	-1.845584425	0	0	0	0	0	0	0	0	0	0	-0.058049915	0	0	0	0	0	0	0	0	-0.278337462	-0.035592979	0	0	0	0	0	0.0000851	0	0	0	0	0.011169355	0.013059272	0	0	0	0	0	0	0	1520.540998
ethyl_2,2-dimethylpropanoate	0	0	0	0	0	2	1	0	0	0	0	-2.305149031	0	0	0	0	0	0	0	0	0	-0.014202946	-0.064690279	0	0	0	0	0	0	0	0	-0.300390413	-0.036946943	0	0	0	0	0	0.000151041	0	0	0	0	0.01820029	0.013140506	0	0	0	0	0	0	0	1537.769714
methyl_hexanoate	0	0	0	0	0	2	1	0	0	0	0	-1.694874483	0	0	0	0	0	0	0	0	0	0	-0.045599741	0	0	0	0	0	0	0	0	-0.175218487	-0.031343018	0	0	0	0	0	0.000253643	0	0	0	0	0.007524956	0.012648327	0	0	0	0	0	0	0	1517.377183
methyl_heptanoate	0	0	0	0	0	2	1	0	0	0	0	-1.918891515	0	0	0	0	0	0	0	0	0	0	-0.065709842	0	0	0	0	0	0	0	0	-0.16671664	-0.034250552	0	0	0	0	0	0.000318099	0	0	0	0	0.007532118	0.012636046	0	0	0	0	0	0	0	1520.724732
methyl_octanoate	0	0	0	0	0	2	1	0	0	0	0	-2.160357348	0	0	0	0	0	0	0	0	0	0	-0.029797834	0	0	0	0	0	0	0	0	-0.164689147	-0.031299374	0	0	0	0	0	0.000382531	0	0	0	0	0.007532644	0.012637148	0	0	0	0	0	0	0	1517.389815
methyl_2-propenoate	1	0	0	0	0	2	1	0	0	0	0	-1.301937437	0	0	-0.053712403	0	0	0	0	0	0	0	0	0	0	0	-0.100640554	0	0	0	0	-0.313245737	-0.000741764	0	0	0	0	0	0.0000201	0	0	0	0	0.005002485	0.010135375	0	0	0	0	0	0	0	2153.406
methyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-1.717216344	-0.186404334	0	-0.047134581	0	0	0	0	0	0	0	0	0	0	0	-0.09192752	0	0	0	0	-0.302380669	-0.001269959	0	0	0	0	0	0.0000449	0	0	0	0	0.004986359	0.010602579	0	0	0	0	0	0	0	2125.836
ethyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-1.970079696	-0.06192853	0	-0.047650241	0	0	0	0	0	0	-0.160478383	0	0	0	0	-0.073741106	0	0	0	0	-0.289973997	-0.000806829	0	0	0	0	0	0.000110693	0	0	0	0	0.012033912	0.01068643	0	0	0	0	0	0	0	2123.066
propyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-2.002016526	-0.178309866	0	-0.047119564	0	0	0	0	0	0	-0.125801538	0	0	0	0	-0.082124658	0	0	0	0	-0.259378341	-0.000600676	0	0	0	0	0	0.000170346	0	0	0	0	0.012164254	0.010650301	0	0	0	0	0	0	0	2126.984881
1-methylethyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-2.683817366	-0.176199218	0	-0.040860266	0	0	0	0	0	0	-0.294032229	0	0	0	0	-0.096891522	0	0	0	0	-0.272520758	-0.000820097	0	0	0	0	0	0.000140779	0	0	0	0	0.018335346	0.013142237	0	0	0	0	0	0	0	2122.096
butyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-2.072798991	-0.180580622	0	-0.046332635	0	0	0	0	0	0	-0.137935211	0	0	0	0	-0.056071875	0	0	0	0	-0.223451445	-0.000966488	0	0	0	0	0	0.000235431	0	0	0	0	0.012189285	0.010670518	0	0	0	0	0	0	0	2090.973267
1-methylpropyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-2.473160058	-0.17931004	0	-0.041475329	0	0	0	0	0	0	-0.240900491	0	0	0	0	-0.017343616	0	0	0	0	-0.249248497	-0.0008154	0	0	0	0	0	0.000207736	0	0	0	0	0.020226456	0.013243318	0	0	0	0	0	0	0	2121.636298
3-methylbutyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-2.61859486	-0.062013514	0	-0.045493045	0	0	0	0	0	0	-0.134828071	0	0	0	0	-0.025129875	0	0	0	0	-0.199421062	-0.000597147	0	0	0	0	0	0.000309617	0	0	0	0	0.012615269	0.010819758	0	0	0	0	0	0	0	2132.020491
1,1-dimethylethyl_trans-2-butenoate	1	0	0	0	0	2	1	0	0	0	0	-3.667314038	-0.174629504	0	-0.043832357	0	0	0	0	0	0	-0.359344262	0	0	0	0	-0.075855236	0	0	0	0	-0.294609382	-0.000847943	0	0	0	0	0	0.000129728	0	0	0	0	0.024520027	0.01697468	0	0	0	0	0	0	0	2098.426
ethyl_cis-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.212827008	-0.096015274	0	-0.039479114	0	0	0	0	0	0	-0.173117921	0	0	0	0	-0.047534055	0	0	0	0	-0.290250178	-0.00105019	0	0	0	0	0	0.000130894	0	0	0	0	0.013028236	0.015856075	0	0	0	0	0	0	0	2142.266
ethyl_trans-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.863167023	-0.136356998	0	-0.046442098	0	0	0	0	0	0	-0.173081558	0	0	0	0	-0.051851512	0	0	0	0	-0.292612117	-0.000808665	0	0	0	0	0	0.000178471	0	0	0	0	0.012066799	0.010723615	0	0	0	0	0	0	0	2126.278281
propyl_trans-2-pentanoate	1	0	0	0	0	2	1	0	0	0	0	-1.958858985	-0.063078258	0	-0.045932639	0	0	0	0	0	0	-0.115463486	0	0	0	0	-0.050522149	0	0	0	0	-0.264904158	-0.000882649	0	0	0	0	0	0.000238167	0	0	0	0	0.012198171	0.010694896	0	0	0	0	0	0	0	2129.909433
1-methylethyl_trans-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.586270705	-0.138651739	0	-0.040549642	0	0	0	0	0	0	-0.307177793	0	0	0	0	-0.067348623	0	0	0	0	-0.278545815	-0.000821787	0	0	0	0	0	0.00020852	0	0	0	0	0.018362227	0.013187821	0	0	0	0	0	0	0	2125.176418
butyl_trans-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.872961815	-0.137480035	0	-0.045176737	0	0	0	0	0	0	-0.06437122	0	0	0	0	-0.054573851	0	0	0	0	-0.225478116	-0.000841746	0	0	0	0	0	0.000303173	0	0	0	0	0.012221747	0.010717978	0	0	0	0	0	0	0	2134.543316
1-methylpropyl_trans-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.369210531	-0.139681504	0	-0.040273208	0	0	0	0	0	0	-0.229652434	0	0	0	0	-0.022405363	0	0	0	0	-0.2521742	-0.000816313	0	0	0	0	0	0.000275583	0	0	0	0	0.020258317	0.013288257	0	0	0	0	0	0	0	2156.905367
2-methylpropyl_trans-2-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.634189426	-0.13438164	0	-0.045843275	0	0	0	0	0	0	-0.096572175	0	0	0	0	-0.056903148	0	0	0	0	-0.231213603	-0.000601266	0	0	0	0	0	0.000270853	0	0	0	0	0.014157323	0.010793785	0	0	0	0	0	0	0	2147.738938
ethyl_cis-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.517081269	-0.136689958	0	0	0	0	0	0	0	0	-0.148597423	-0.012131046	0	0	0	-0.139650409	0	0	0	0	-0.166598423	-0.013399914	0	0	0	0	0	0.00016267	0	0	0	0	0.014642984	0.013620153	0	0	0	0	0	0	0	2098.596
ethyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.952305337	-0.187447666	0	0	0	0	0	0	0	0	-0.156083627	-0.11407744	0	0	0	-0.13720602	0	0	0	0	-0.306327311	-0.008641434	0	0	0	0	0	0.000150014	0	0	0	0	0.014410112	0.01145011	0	0	0	0	0	0	0	2101.196
propyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.062381963	-0.19352435	0	0	0	0	0	0	0	0	-0.129317259	-0.100480606	0	0	0	-0.136402298	0	0	0	0	-0.262085687	-0.011340534	0	0	0	0	0	0.000210352	0	0	0	0	0.014555806	0.011318802	0	0	0	0	0	0	0	2078.778989
1-methylethyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.748135087	-0.188861059	0	0	0	0	0	0	0	0	-0.295507751	-0.007610709	0	0	0	-0.135779994	0	0	0	0	-0.279616711	-0.005365517	0	0	0	0	0	0.000179848	0	0	0	0	0.020716283	0.013826213	0	0	0	0	0	0	0	2099.626
butyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.17316896	-0.178833831	0	0	0	0	0	0	0	0	-0.06692769	-0.022862527	0	0	0	-0.137675733	0	0	0	0	-0.181072947	-0.014460418	0	0	0	0	0	0.00027461	0	0	0	0	0.01457334	0.011436579	0	0	0	0	0	0	0	2071.634704
1-methylpropyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.520610211	-0.184816247	0	0	0	0	0	0	0	0	-0.234174433	-0.007398594	0	0	0	-0.13682936	0	0	0	0	-0.256899211	-0.005232919	0	0	0	0	0	0.000248107	0	0	0	0	0.022550813	0.013866306	0	0	0	0	0	0	0	2111.561841
2-methylpropyl_trans-3-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.611559972	-0.193528135	0	0	0	0	0	0	0	0	-0.105996777	-0.008383549	0	0	0	-0.137925418	0	0	0	0	-0.23245801	-0.012150622	0	0	0	0	0	0.00024253	0	0	0	0	0.016488824	0.011505437	0	0	0	0	0	0	0	2127.559022
ethyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.782943517	-0.143629108	0	0	0	0	0	0	0	0	-0.149166629	-0.070021544	0	0	0	-0.105055975	0	0	0	0	-0.300542535	-0.017616515	0	0	0	0	0	0.000174119	0	0	0	0	0.014368188	0.01266523	0	0	0	0	0	0	0	2111.135343
propyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.912013705	-0.132283538	0	0	0	0	0	0	0	0	-0.127137915	-0.079497805	0	0	0	-0.090384837	0	0	0	0	-0.271336084	-0.020421222	0	0	0	0	0	0.000233708	0	0	0	0	0.0145025	0.012639521	0	0	0	0	0	0	0	2110.376212
1-methylethyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.574244131	-0.075417006	0	0	0	0	0	0	0	0	-0.283924846	-0.005354401	0	0	0	-0.113906011	0	0	0	0	-0.284692315	-0.009063414	0	0	0	0	0	0.000204069	0	0	0	0	0.020663084	0.015040096	0	0	0	0	0	0	0	2096.576125
butyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-1.733806588	-0.135669066	0	0	0	0	0	0	0	0	-0.067263476	-0.057233232	0	0	0	-0.109083014	0	0	0	0	-0.177110693	-0.022914388	0	0	0	0	0	0.000298804	0	0	0	0	0.014526394	0.012660399	0	0	0	0	0	0	0	2114.978703
1-methylpropyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.271010171	-0.065207419	0	0	0	0	0	0	0	0	-0.223124564	-0.00539201	0	0	0	-0.123233229	0	0	0	0	-0.266447198	-0.004586117	0	0	0	0	0	0.000271401	0	0	0	0	0.022518566	0.015147346	0	0	0	0	0	0	0	2123.675761
2-methylpropyl_4-pentenoate	1	0	0	0	0	2	1	0	0	0	0	-2.358117715	-0.064540298	0	0	0	0	0	0	0	0	-0.106749594	-0.076813945	0	0	0	-0.123523402	0	0	0	0	-0.234003388	-0.021089441	0	0	0	0	0	0.000266546	0	0	0	0	0.016485704	0.012724085	0	0	0	0	0	0	0	2127.189847
methylamine	0	0	0	1	0	0	0	0	0	0	0	-0.838056731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.215965189	0	0	0	0	0	0	0	0.0000831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	273.4223334
ethylamine	0	0	0	1	0	0	0	0	0	0	0	-1.415188406	0	0	0	0	-0.223382705	0	0	0	0	0	0	0	0	0	0	0	0	-0.153876852	0	0	0	0	0	0	0	0.0000748	0.0000678	0	0.004691504	0	0	0	0	0	0	0	0	0	0	0	261.0523334
1-propylamine	0	0	0	1	0	0	0	0	0	0	0	-1.298085875	0	0	0	0	-0.148415444	0	0	0	0	0	0	0	0	0	0	0	0	-0.142733315	0	0	0	0	0	0	0	0.0000815	0.000132209	0	0.006003685	0	0	0	0	0	0	0	0	0	0	0	267.3735205
2-propylamine	0	0	0	1	0	0	0	0	0	0	0	-1.88675463	0	0	0	0	-0.345726376	0	0	0	0	0	0	0	0	0	0	0	0	-0.155487866	0	0	0	0	0	0	0	0.0000733	0.000101853	0	0.012401524	0	0	0	0	0	0	0	0	0	0	0	260.6823334
1-butylamine	0	0	0	1	0	0	0	0	0	0	0	-1.135388087	0	0	0	0	-0.16778772	0	0	0	0	0	0	0	0	0	0	0	0	-0.124722798	0	0	0	0	0	0	0	0.0000814	0.000197159	0	0.006037708	0	0	0	0	0	0	0	0	0	0	0	269.2211832
2-butylamine	0	0	0	1	0	0	0	0	0	0	0	-1.768522942	0	0	0	0	-0.280154718	0	0	0	0	0	0	0	0	0	0	0	0	-0.147321682	0	0	0	0	0	0	0	0.000130635	0.000176377	0	0.012976996	0	0	0	0	0	0	0	0	0	0	0	266.4653919
2-methyl-2-propylamine	0	0	0	1	0	0	0	0	0	0	0	-2.767199372	0	0	0	0	-0.41845702	0	0	0	0	0	0	0	0	0	0	0	0	-0.148225873	0	0	0	0	0	0	0	0.0000637	0.0000852	0	0.017738816	0	0	0	0	0	0	0	0	0	0	0	261.3123334
2-methylpropylamine	0	0	0	1	0	0	0	0	0	0	0	-1.642728297	0	0	0	0	-0.109132647	0	0	0	0	0	0	0	0	0	0	0	0	-0.130357234	0	0	0	0	0	0	0	0.0000866	0.000165995	0	0.007669042	0	0	0	0	0	0	0	0	0	0	0	273.0292832
dimethylamine	0	0	0	2	0	0	0	0	0	0	0	-0.369376171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.401170536	0	0	0	0	0	0	0	0.0000978	0.0000256	0	0	0	0	0	0	0	0	0	0	0	0	0	564.7426667
diethylamine	0	0	0	2	0	0	0	0	0	0	0	-1.015007387	0	0	0	0	-0.397602442	0	0	0	0	0	0	0	0	0	0	0	0	-0.337535102	0	0	0	0	0	0	0	0.0000749	0.000181864	0	0.011006231	0	0	0	0	0	0	0	0	0	0	0	545.2026667
methyl-tert-butylamine	0	0	0	2	0	0	0	0	0	0	0	-2.2879654	0	0	0	0	-0.388200997	0	0	0	0	0	0	0	0	0	0	0	0	-0.248883708	0	0	0	0	0	0	0	0.000102987	0.00018301	0	0.017225989	0	0	0	0	0	0	0	0	0	0	0	544.8326667
di-n-propylamine	0	0	0	2	0	0	0	0	0	0	0	-1.21529124	0	0	0	0	-0.294607558	0	0	0	0	0	0	0	0	0	0	0	0	-0.272961776	0	0	0	0	0	0	0	0.0000836	0.000300886	0	0.011390018	0	0	0	0	0	0	0	0	0	0	0	556.0384568
diisopropylamine	0	0	0	2	0	0	0	0	0	0	0	-2.945574556	0	0	0	0	-0.621642997	0	0	0	0	0	0	0	0	0	0	0	0	-0.313722015	0	0	0	0	0	0	0	0.0000836	0.000326988	0	0.022938957	0	0	0	0	0	0	0	0	0	0	0	543.8626667
isopropyl-tert-butylamine	0	0	0	2	0	0	0	0	0	0	0	-3.855130367	0	0	0	0	-0.705626023	0	0	0	0	0	0	0	0	0	0	0	0	-0.315667156	0	0	0	0	0	0	0	0.0000811	0.000326388	0	0.028235017	0	0	0	0	0	0	0	0	0	0	0	528.5926667
di-n-butylamine	0	0	0	2	0	0	0	0	0	0	0	-0.93153679	0	0	0	0	-0.197626929	0	0	0	0	0	0	0	0	0	0	0	0	-0.207524792	0	0	0	0	0	0	0	0.0000799	0.000424633	0	0.011829803	0	0	0	0	0	0	0	0	0	0	0	557.4887374
butylisobutylamine	0	0	0	2	0	0	0	0	0	0	0	-1.120800286	0	0	0	0	-0.219820038	0	0	0	0	0	0	0	0	0	0	0	0	-0.228736176	0	0	0	0	0	0	0	0.00012963	0.000413163	0	0.013965503	0	0	0	0	0	0	0	0	0	0	0	568.165888
diisobutylamine	0	0	0	2	0	0	0	0	0	0	0	-1.739319067	0	0	0	0	-0.231768897	0	0	0	0	0	0	0	0	0	0	0	0	-0.205380793	0	0	0	0	0	0	0	0.0000869	0.000369009	0	0.014758339	0	0	0	0	0	0	0	0	0	0	0	572.4034241
di-tert-butylamine	0	0	0	2	0	0	0	0	0	0	0	-4.780523919	0	0	0	0	-0.766225914	0	0	0	0	0	0	0	0	0	0	0	0	-0.307875819	0	0	0	0	0	0	0	0.000133978	0.000415194	0	0.03322463	0	0	0	0	0	0	0	0	0	0	0	499.0226667
trimethylamine	0	0	0	3	0	0	0	0	0	0	0	-0.422483749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.488579603	0	0	0	0	0	0	0	0	0.000110394	0	0	0	0	0	0	0	0	0	0	0	0	0	865.463
triethylamine	0	0	0	3	0	0	0	0	0	0	0	-0.895415821	0	0	0	0	-0.556659365	0	0	0	0	0	0	0	0	0	0	0	0	-0.442179641	0	0	0	0	0	0	0	0	0.000565872	0	0.015866407	0	0	0	0	0	0	0	0	0	0	0	825.153
tri-n-propylamine	0	0	0	3	0	0	0	0	0	0	0	-1.124162493	0	0	0	0	-0.438820613	0	0	0	0	0	0	0	0	0	0	0	0	-0.417985189	0	0	0	0	0	0	0	0	0.000662239	0	0.016508929	0	0	0	0	0	0	0	0	0	0	0	844.50892
methanamide	0	0	0	1	0	0	1	0	0	0	0	-1.287952613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.100464231	0	0	-0.000366776	0	0	0	0	0.000049	0	0	0	0	0.0046608	0	0	0	0	0	0	0	0	0	1088.835333
ethanamide	0	0	0	1	0	0	1	0	0	0	0	-2.39795654	0	0	0	0	0	-0.159878367	0	0	0	0	0	0	0	0	0	0	0	-0.092105753	0	0	-0.00050035	0	0	0	0	0.0000576	0	0	0.005953716	0	0.005163363	0	0.005879601	0	0	0	0	0	0	0	1096.765333
propanamide	0	0	0	1	0	0	1	0	0	0	0	-1.88922553	0	0	0	0	0	-0.114264222	0	0	0	0	0	0	0	0	0	0	0	-0.084093985	0	0	-0.00049904	0	0	0	0	0.0000243	0.0000671	0	0.006149779	0	0.005113912	0	0.00747076	0	0	0	0	0	0	0	1101.282417
butanamide	0	0	0	1	0	0	1	0	0	0	0	-2.271538469	0	0	0	0	0	-0.140864108	0	0	0	0	0	0	0	0	0	0	0	-0.084068367	0	0	-0.000522112	0	0	0	0	0.0000238	0.00012671	0	0.006145145	0	0.005131755	0	0.007664946	0	0	0	0	0	0	0	1103.301862
pentanamide	0	0	0	1	0	0	1	0	0	0	0	-2.570050917	0	0	0	0	0	-0.120062476	0	0	0	0	0	0	0	0	0	0	0	-0.084080014	0	0	-0.000316151	0	0	0	0	0.000024	0.00019224	0	0.006173102	0	0.005121972	0	0.007685108	0	0	0	0	0	0	0	1092.558284
hexanamide	0	0	0	1	0	0	1	0	0	0	0	-2.249177678	0	0	0	0	0	-0.127477211	0	0	0	0	0	0	0	0	0	0	0	-0.084063218	0	0	-0.000521263	0	0	0	0	0.0000242	0.000256624	0	0.006184335	0	0.005118136	0	0.007685448	0	0	0	0	0	0	0	1103.332831
octanamide	0	0	0	1	0	0	1	0	0	0	0	-2.519837288	0	0	0	0	0	-0.124889677	0	0	0	0	0	0	0	0	0	0	0	-0.087395318	0	0	-0.00020619	0	0	0	0	0.000024	0.000385383	0	0.006183438	0	0.00511979	0	0.007698141	0	0	0	0	0	0	0	1099.691886
2-methylpropanamide	0	0	0	1	0	0	1	0	0	0	0	-2.190176411	0	0	0	0	0	-0.097263488	0	0	0	0	0	0	0	0	0	0	0	-0.085493512	0	0	-0.000445621	0	0	0	0	0.0000428	0.0000966	0	0.006871918	0	0.005143275	0	0.008053456	0	0	0	0	0	0	0	1103.18461
2,2-dimethylpropanamide	0	0	0	1	0	0	1	0	0	0	0	-2.783026868	0	0	0	0	0	-0.101829487	0	0	0	0	0	0	0	0	0	0	0	-0.08429736	0	0	-0.000399056	0	0	0	0	0.000117089	0.0000886	0	0.007675986	0	0.005403982	0	0.008319766	0	0	0	0	0	0	0	1106.94369
butylethanamide	0	0	0	2	0	0	1	0	0	0	0	-2.139654569	0	0	0	0	-0.165494584	-0.152397958	0	0	0	0	0	0	0	0	0	0	0	-0.159207979	0	0	-0.000617993	0	0	0	0	0.0000764	0.0002043	0	0.012361316	0	0.001042612	0	0.013343555	0	0	0	0	0	0	0	1386.591514
dimethylmethanamide	0	0	0	3	0	0	1	0	0	0	0	-0.707225323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.253054326	0	0	-0.000387577	0	0	0	0	0	0.000114619	0	0	0	0	0	0.007910691	0	0	0	0	0	0	0	1679.176
dimethylacetamide	0	0	0	3	0	0	1	0	0	0	0	-1.414733623	0	0	0	0	0	-0.128482049	0	0	0	0	0	0	0	0	0	0	0	-0.17205564	0	0	-0.000611414	0	0	0	0	0	0.000140208	0	0.005059107	0	0	0	0.016493505	0	0	0	0	0	0	0	1678.306
N-butyldiacetamide	0	0	0	3	0	0	2	0	0	0	0	-2.868630484	0	0	0	0	-0.173968048	-0.253277925	0	0	0	0	0	0	0	0	0	0	0	-0.207354609	0	0	-0.00857057	0	0	0	0	0	0.000360272	0	0.014739187	0	0	0	0.03695828	0	0	0	0	0	0	0.000230801	2460.979864
triacetamide	0	0	0	3	0	0	3	0	0	0	0	-4.393783433	0	0	0	0	0	-0.418713409	0	0	0	0	0	0	0	0	0	0	0	-0.198043571	0	0	-0.024581865	0	0	0	0	0	0.000000381	0	0.014744972	0	0	0	0.046545889	0	0	0	0	0	0	0.000954035	3217.292
trans-butylmethyldiazene	0	0	0	2	0	0	0	0	1	0	0	-0.531883189	0	0	0	0	-0.132214895	0	0	0	0	0	0	0	0	0	0	0	0	-0.173741586	0	0	0	0	-0.237908715	0	0	0	0.000198319	0	0	0.000092	0	0	0	0	0	0	0	0	0	0	1038.251803
trans-dipropyldiazene	0	0	0	2	0	0	0	0	1	0	0	-0.337823758	0	0	0	0	-0.26536068	0	0	0	0	0	0	0	0	0	0	0	0	-0.260200949	0	0	0	0	-0.239273862	0	0	0	0.000284039	0	0	0.000105909	0	0	0	0	0	0	0	0	0	0	1037.438696
trans-dibutyldiazene	0	0	0	2	0	0	0	0	1	0	0	-1.304696395	0	0	0	0	-0.190764588	0	0	0	0	0	0	0	0	0	0	0	0	-0.14655163	0	0	0	0	-0.239053806	0	0	0	0.000412598	0	0	0.000107348	0	0	0	0	0	0	0	0	0	0	1034.652078
trans-1,2-diisopropyldiazene	0	0	0	2	0	0	0	0	1	0	0	-2.447637466	0	0	0	0	-0.576815019	0	0	0	0	0	0	0	0	0	0	0	0	-0.311593735	0	0	0	0	-0.240089979	0	0	0	0.00018392	0	0	0.000140929	0	0	0	0	0	0	0	0	0	0	1009.806
di-tert-butyldiazene	0	0	0	2	0	0	0	0	1	0	0	-3.002659937	0	0	0	0	-0.78166275	0	0	0	0	0	0	0	0	0	0	0	0	-0.316984861	0	0	0	0	-0.221952273	0	0	0	0.000170122	0	0	0.000120646	0	0	0	0	0	0	0	0	0	0	1008.866
hydrogen_cyanide	0	0	0	0	1	0	0	0	0	0	0	-0.04797511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	856.34
ethanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.797822375	0	0	0	0	0	0	0	-0.193051598	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0000033	0	0	0	0	0	0	0	0	0	0	0	0	881.013
propanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.319727899	0	0	0	0	0	0	0	-0.212908397	0	0	0	0	0	0	0	0	0	0	-0.00000105	0	0	0	0	0	0	0	0.0000682	0.00000283	0	0	0	0	0	0	0	0	0	0	0	0	886.2394647
butanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.581850455	0	0	0	0	0	0	0	-0.218496476	0	0	0	0	0	0	0	0	0	0	-0.00000221	0	0	0	0	0	0	0	0.000130015	0.00000285	0	0	0	0	0	0	0	0	0	0	0	0	882.6606186
2-methylpropanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.709456422	0	0	0	0	0	0	0	-0.231135201	0	0	0	0	0	0	0	0	0	0	-0.0000138	0	0	0	0	0	0	0	0.0000993	0.00000232	0	0	0	0	0	0	0	0	0	0	0	0	893.5318999
pentanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.867395752	0	0	0	0	0	0	0	-0.212605862	0	0	0	0	0	0	0	0	0	0	-0.00000325	0	0	0	0	0	0	0	0.000195272	0.00000285	0	0	0	0	0	0	0	0	0	0	0	0	885.0939746
2,2-dimethylpropanenitrile	0	0	0	0	1	0	0	0	0	0	0	-1.394273249	0	0	0	0	0	0	0	-0.248752405	0	0	0	0	0	0	0	0	0	0	-0.00000215	0	0	0	0	0	0	0	0.0000877	0.00000178	0	0	0	0	0	0	0	0	0	0	0	0	889.4508542
heptanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.752746002	0	0	0	0	0	0	0	-0.209394211	0	0	0	0	0	0	0	0	0	0	-0.00000346	0	0	0	0	0	0	0	0.000324047	0.00000285	0	0	0	0	0	0	0	0	0	0	0	0	883.1111901
octanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.859846519	0	0	0	0	0	0	0	-0.213575739	0	0	0	0	0	0	0	0	0	0	-0.00000311	0	0	0	0	0	0	0	0.000388735	0.00000285	0	0	0	0	0	0	0	0	0	0	0	0	880.1785283
decanenitrile	0	0	0	0	1	0	0	0	0	0	0	-0.806827669	0	0	0	0	0	0	0	-0.213814364	0	0	0	0	0	0	0	0	0	0	-0.00000353	0	0	0	0	0	0	0	0.000517678	0.00000285	0	0	0	0	0	0	0	0	0	0	0	0	877.9769035
ethanedinitrile	0	0	0	0	2	0	0	0	0	0	0	-0.158832067	0	0	0	0	0	0	0	0	-0.244617867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000426662	0	0	0	0	0	0	1714.606
propanedinitrile	0	0	0	0	2	0	0	0	0	0	0	-0.881222623	0	0	0	0	0	0	0	-0.299485469	0	0	0	0	0	0	0	0	0	0	-0.0000241	0	0	0	0	0	0	0	0	0.00000462	0	0	0	0	0	0.000153237	0	0	0	0	0	0	1719.336
butanedinitrile	0	0	0	0	2	0	0	0	0	0	0	-0.414955387	0	0	0	0	0	0	0	-0.372157323	0	0	0	0	0	0	0	0	0	0	-0.0000203	0	0	0	0	0	0	0	0.0000348	0.00000567	0	0	0	0	0	0.0000234	0	0	0	0	0	0	1743.130521
hexanedinitrile	0	0	0	0	2	0	0	0	0	0	0	-0.990557053	0	0	0	0	0	0	0	-0.422706282	0	0	0	0	0	0	0	0	0	0	-0.00000779	0	0	0	0	0	0	0	0.000177935	0.00000747	0	0	0	0	0	0.00000792	0	0	0	0	0	0	1734.272299
tetramethylbutanedinitrile	0	0	0	0	2	0	0	0	0	0	0	-1.904044698	0	0	0	0	0	0	0	-0.436901321	0	0	0	0	0	0	0	0	0	0	-0.0000274	0	0	0	0	0	0	0	0.000272587	0.00000919	0	0	0	0	0	0.0000235	0	0	0	0	0	0	1718.18568
methanetetracarbonitrile	0	0	0	0	4	0	0	0	0	0	0	-0.519604798	0	0	0	0	0	0	0	-0.404192766	0	0	0	0	0	0	0	0	0	0	-0.0000145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.001005756	0	0	0	0	0	0	3371.782
propenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.404600646	0	-0.190842778	0	0	0	0	0	0	0	0	0	0	0	0	-0.126855746	0	0	0	-0.00000396	0	0	0	0	0	0	0	0.0000254	0.00000123	0	0	0	0	0	0	0	0	0	0	0	0	1491.083
cis-2-butenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.80791387	-0.117798234	-0.185517121	0	0	0	0	0	0	0	0	0	0	0	0	-0.009719384	0	0	0	-0.00000473	0	0	0	0	0	0	0	0.0000598	0.00000252	0	0	0	0	0	0	0	0	0	0	0	0	1500.913
trans-2-butenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.723374913	-0.166250166	-0.185483914	0	0	0	0	0	0	0	0	0	0	0	0	-0.001847922	0	0	0	-0.00000491	0	0	0	0	0	0	0	0.0000521	0.00000126	0	0	0	0	0	0	0	0	0	0	0	0	1494.213
3-butenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.552200396	-0.152205986	0	0	0	0	0	0	-0.204151585	0	0	0	0	0	0	-0.113968433	0	0	0	-0.00000519	0	0	0	0	0	0	0	0.0000648	0.00000254	0	0	0	0	0	0	0	0	0	0	0	0	1477.313
cis-2-pentenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.644574484	-0.076693992	-0.184689212	0	0	0	0	0	0	0	0	0	0	0	0	-0.015613417	0	0	0	-0.00000705	0	0	0	0	0	0	0	0.000125979	0.00000256	0	0	0	0	0	0	0	0	0	0	0	0	1506.123686
trans-2-pentenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.586066977	-0.123740326	-0.183253673	0	0	0	0	0	0	0	0	0	0	0	0	-0.055675281	0	0	0	-0.00000529	0	0	0	0	0	0	0	0.000120262	0.00000126	0	0	0	0	0	0	0	0	0	0	0	0	1501.155633
trans-3-pentenenitrile	1	0	0	0	1	0	0	0	0	0	0	-0.844965117	-0.302914656	0	0	0	0	0	0	-0.204625313	0	0	0	0	0	0	-0.120010217	0	0	0	-0.0000117	0	0	0	0	0	0	0	0.0000974	0.00000253	0	0	0	0	0	0	0	0	0	0	0	0	1473.043
trans-butenedinitrile	1	0	0	0	2	0	0	0	0	0	0	-0.51311833	0	-0.323903974	0	0	0	0	0	0	0	0	0	0	0	0	-0.035988996	0	0	0	-0.0000229	0	0	0	0	0	0	0	0.00000151	0.00000242	0	0	0	0	0	0.000023	0	0	0	0	0	0	2361.306
ethenetricarbonitrile	1	0	0	0	3	0	0	0	0	0	0	-0.603327426	0	-0.333764411	0	0	0	0	0	0	0	0	0	0	0	0	-0.050075208	0	0	0	-0.000039	0	0	0	0	0	0	0	0	0.00000134	0	0	0	0	0	0.000364399	0	0	0	0	0	0	3210.829
ethenetetracarbonitrile	1	0	0	0	4	0	0	0	0	0	0	-0.64068897	0	-0.319393828	0	0	0	0	0	0	0	0	0	0	0	0	-0.087714311	0	0	0	-0.0000247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.000796791	0	0	0	0	0	0	4056.152
nitromethane	0	0	0	1	0	0	0	0	0	0	2	-1.1399062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.223659845	0	0	0	0	0	0	-0.164926123	0	0	0	0	0	0	0	0.015565603	0	0	0	0	0	0	0	1168.389
nitroethane	0	0	0	1	0	0	0	0	0	0	2	-0.788827837	0	0	0	0	-0.175188754	0	0	0	0	0	0	0	0	0	0	0	0	-0.001642734	0	0	0	0	0	0	-0.185166619	0	0.000065	0	0.005992477	0	0	0	0.016789212	0	0	0	0	0	0	0	1159.919
1-nitropropane	0	0	0	1	0	0	0	0	0	0	2	-1.162319556	0	0	0	0	-0.110051884	0	0	0	0	0	0	0	0	0	0	0	0	-0.002132602	0	0	0	0	0	0	-0.180345825	0	0.00012571	0	0.006109536	0	0	0	0.016929908	0	0	0	0	0	0	0	1167.725067
2-nitropropane	0	0	0	1	0	0	0	0	0	0	2	-1.278870877	0	0	0	0	-0.047583493	0	0	0	0	0	0	0	0	0	0	0	0	-0.001084314	0	0	0	0	0	0	-0.184041885	0	0.0000901	0	0.012131686	0	0	0	0.019274447	0	0	0	0	0	0	0	1160.049
1-nitrobutane	0	0	0	1	0	0	0	0	0	0	2	-1.37231615	0	0	0	0	-0.064791405	0	0	0	0	0	0	0	0	0	0	0	0	-0.002705088	0	0	0	0	0	0	-0.171082732	0	0.000190831	0	0.006140569	0	0	0	0.017004299	0	0	0	0	0	0	0	1167.830403
2-nitrobutane	0	0	0	1	0	0	0	0	0	0	2	-1.382491307	0	0	0	0	-0.05543084	0	0	0	0	0	0	0	0	0	0	0	0	-0.001792551	0	0	0	0	0	0	-0.179019914	0	0.000153655	0	0.013478829	0	0	0	0.022401442	0	0	0	0	0	0	0	1170.072146
2-methyl-2-nitropropane	0	0	0	1	0	0	0	0	0	0	2	-1.814884675	0	0	0	0	-0.082944348	0	0	0	0	0	0	0	0	0	0	0	0	-0.001460146	0	0	0	0	0	0	-0.187081674	0	0.0000806	0	0.018169444	0	0	0	0.021414629	0	0	0	0	0	0	0	1161.779
dinitromethane	0	0	0	2	0	0	0	0	0	0	4	-1.578150008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.307675805	0	0	0	0	0	0	-0.276087748	0	0	0	0	0	0	0	0.023850846	0	0	0	0.004883317	0	0	0.002185702	2321.888
1,1-dinitropropane	0	0	0	2	0	0	0	0	0	0	4	-1.771181548	0	0	0	0	0	0	-0.058804885	0	0	0	0	0	0	0	0	0	0	-0.016033411	0	0	0	0	0	0	-0.29581868	0	0.0000892	0	0.012887928	0	0	0	0.028059888	0	0	0	0.006623226	0	0	0.002786118	2313.362615
trinitromethane	0	0	0	3	0	0	0	0	0	0	6	-1.822838562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.026201096	0	0	0	0	0	0	-0.000959189	0	0	0	0	0	0	0	0.016972482	0	0	0	0.019215257	0	0	0.00862047	3432.087
tetranitromethane	0	0	0	4	0	0	0	0	0	0	8	-1.990250723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.111599497	0	0	0	0	0	0	-0.404834361	0	0	0	0	0	0	0	0	0	0	0	0.037247709	0	0	0.019516451	4512.486
methyl_nitrate	0	0	0	0	0	1	0	0	0	1	2	-0.994764208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.253045458	0	0	0	-0.003036942	-0.059116414	0	0	0	0.006401825	0	0	0	0.009119843	0	0	0	0	0	0	0	1465.462
ethyl_nitrate	0	0	0	0	0	1	0	0	0	1	2	-1.308593835	0	0	0	0	0	0	0	0	0	-0.17081051	0	0	0	0	0	0	0	0	0	-0.250752228	0	0	0	-0.171189884	-0.06343151	0	0.0000653	0	0.006424791	0	0	0.007277237	0.009351752	0	0	0	0	0	0	0	1460.892
propyl_nitrate	0	0	0	0	0	1	0	0	0	1	2	-1.351063764	0	0	0	0	0	0	0	0	0	-0.1095574	0	0	0	0	0	0	0	0	0	-0.170697489	0	0	0	-0.172331967	-0.047198888	0	0.000125829	0	0.006421344	0	0	0.007383363	0.009329642	0	0	0	0	0	0	0	1467.514248
1-methylethyl_nitrate	0	0	0	0	0	1	0	0	0	1	2	-2.001101828	0	0	0	0	0	0	0	0	0	-0.330759686	0	0	0	0	0	0	0	0	0	-0.232606535	0	0	0	-0.164442126	-0.052822794	0	0.000094	0	0.007030889	0	0	0.013423444	0.012601006	0	0	0	0	0	0	0	1461.322
1,2,3-propanetriol_trinitrate	0	0	0	0	0	3	0	0	0	3	6	-2.958805982	0	0	0	0	0	0	0	0	0	0	0	-0.027602736	0	0	0	0	0	0	0	-0.592559195	0	0	0	-0.550029932	-0.120864732	0	0.0000569	0	0.018679315	0	0	0.020602056	0.030787672	0	0.000139421	0.00114554	0.000329304	0.004061053	0.001089636	0.00021934	4377.366
methanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.152461195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.039924112	0	0	0	0.0000153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	274.199
ethanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.257896822	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.232603933	0	0	0	0	0	0	0	-0.028099302	0	0	0	0.000016	0.0000675	0	0	0	0	0	0	0	0	0	0	0	0	0	260.929
1-propanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.275501564	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.17663852	0	0	0	0	0	0	0	-0.016836529	0	0	0	0.0000166	0.000129035	0	0	0	0	0	0	0	0	0	0	0	0	0	268.2406115
2-propanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.102640033	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.403425651	0	0	0	0	0	0	0	-0.0000584	0	0	0	0.000024	0.0000974	0	0	0	0	0	0	0	0	0	0	0	0	0	254.559
1-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.317202937	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.18031472	0	0	0	0	0	0	0	-0.017580132	0	0	0	0.0000166	0.000193648	0	0	0	0	0	0	0	0	0	0	0	0	0	266.9183123
2-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.890389082	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.312230242	0	0	0	0	0	0	0	-0.001143835	0	0	0	0.0000189	0.000173623	0	0	0	0	0	0	0	0	0	0	0	0	0	260.1671855
2-methyl-1-propanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.572092204	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.16112926	0	0	0	0	0	0	0	-0.017764548	0	0	0	0.00003	0.000178925	0	0	0	0	0	0	0	0	0	0	0	0	0	272.3680617
2-methyl-2-propanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.377991156	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.478657453	0	0	0	0	0	0	0	-0.015029347	0	0	0	0.0000199	0.0000912	0	0	0	0	0	0	0	0	0	0	0	0	0	251.489
1-pentanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.368106667	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.164407551	0	0	0	0	0	0	0	-0.010156894	0	0	0	0.0000166	0.000258301	0	0	0	0	0	0	0	0	0	0	0	0	0	266.355203
2-methyl-1-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.555257943	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.147139298	0	0	0	0	0	0	0	-0.01602841	0	0	0	0.0000362	0.000285851	0	0	0	0	0	0	0	0	0	0	0	0	0	268.6629756
3-methyl-1-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.039889215	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.159219753	0	0	0	0	0	0	0	-0.010892528	0	0	0	0.0000164	0.000277409	0	0	0	0	0	0	0	0	0	0	0	0	0	265.8699152
2-methyl-2-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.119512461	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.428951549	0	0	0	0	0	0	0	-0.007141123	0	0	0	0.0000222	0.000213175	0	0	0	0	0	0	0	0	0	0	0	0	0	253.0841298
3-methyl-2-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.147674318	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.290189269	0	0	0	0	0	0	0	-0.008005855	0	0	0	0.0000313	0.00026896	0	0	0	0	0	0	0	0	0	0	0	0	0	259.7220959
2,2-dimethyl-1-propanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.331847469	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.136650628	0	0	0	0	0	0	0	-0.014811763	0	0	0	0.0000313	0.000163781	0	0	0	0	0	0	0	0	0	0	0	0	0	276.7327563
1-hexanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.385781548	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.171283879	0	0	0	0	0	0	0	-0.009668381	0	0	0	0.0000166	0.000322781	0	0	0	0	0	0	0	0	0	0	0	0	0	265.1697271
2-methyl-2-pentanethiol	0	0	0	0	0	0	0	1	0	0	0	-1.307373833	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.357076031	0	0	0	0	0	0	0	-0.001197716	0	0	0	0.0000221	0.000280096	0	0	0	0	0	0	0	0	0	0	0	0	0	253.0504885
2,3-dimethyl-2-butanethiol	0	0	0	0	0	0	0	1	0	0	0	-2.173732303	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.365999579	0	0	0	0	0	0	0	-0.001624641	0	0	0	0.0000242	0.000394214	0	0	0	0	0	0	0	0	0	0	0	0	0	251.0310914
1-heptanethiol	0	0	0	0	0	0	0	1	0	0	0	-0.416359391	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.053719731	0	0	0	0	0	0	0	-0.009111296	0	0	0	0.0000166	0.000387221	0	0	0	0	0	0	0	0	0	0	0	0	0	264.4496644
benzene	0	0	6	0	0	0	0	0	0	0	0	-0.081337347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0.514313482	0	0	0	0	0	0	0	0	0	0.000124403	0	0	0	0	0	0	0	0	0	0	0	0	0	3030.2
toluene	0	0	6	0	0	0	0	0	0	0	0	-0.774985175	0	0	0	-0.151013687	0	0	0	0	0	0	0	0	0	0	0	0	-0.486276188	0	0	0	0	0	0	0	0	0	0.000121516	0	0	0	0	0	0	0	0	0	0	0	0	0	3025.83
ethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.213812421	0	0	0	-0.044836219	0	0	0	0	0	0	0	0	0	0	0	0	-0.34369112	0	0	0	0	0	0	0	0	0	0.000195582	0	0	0	0	0	0	0	0	0	0	0	0	0	3031.669313
n-propylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.578494163	0	0	0	-0.046839482	0	0	0	0	0	0	0	0	0	0	0	0	-0.17005989	0	0	0	0	0	0	0	0	0	0.000256223	0	0	0	0	0	0	0	0	0	0	0	0	0	3030.979512
isopropylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.955014588	0	0	0	-0.0895593	0	0	0	0	0	0	0	0	0	0	0	0	-0.257372585	0	0	0	0	0	0	0	0	0	0.000285632	0	0	0	0	0	0	0	0	0	0	0	0	0	3034.845433
n-butylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.926614654	0	0	0	-0.0471547	0	0	0	0	0	0	0	0	0	0	0	0	-0.091146686	0	0	0	0	0	0	0	0	0	0.000320944	0	0	0	0	0	0	0	0	0	0	0	0	0	3031.136734
isobutylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.898321636	0	0	0	-0.052705619	0	0	0	0	0	0	0	0	0	0	0	0	-0.30181678	0	0	0	0	0	0	0	0	0	0.000301269	0	0	0	0	0	0	0	0	0	0	0	0	0	3033.685309
sec-butylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.002576081	0	0	0	-0.043595103	0	0	0	0	0	0	0	0	0	0	0	0	-0.339106194	0	0	0	0	0	0	0	0	0	0.000360919	0	0	0	0	0	0	0	0	0	0	0	0	0	3034.62646
tert-butylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.433087257	0	0	0	-0.076631487	0	0	0	0	0	0	0	0	0	0	0	0	-0.230158431	0	0	0	0	0	0	0	0	0	0.000393081	0	0	0	0	0	0	0	0	0	0	0	0	0	3030.196905
n-decylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.002543258	0	0	0	-0.04768276	0	0	0	0	0	0	0	0	0	0	0	0	-0.090679766	0	0	0	0	0	0	0	0	0	0.000707079	0	0	0	0	0	0	0	0	0	0	0	0	0	3028.474106
1,2-dimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.983745683	0	0	0	-0.21487519	0	0	0	0	0	0	0	0	0	0	0	0	-0.482227902	0	0	0	0	0	0	0	0	0	0.000185084	0	0	0	0	0	0	0	0	0	0	0	0	0	3020.76
1-ethyl-2-methylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.815231323	0	0	0	-0.236079354	0	0	0	0	0	0	0	0	0	0	0	0	-0.383731123	0	0	0	0	0	0	0	0	0	0.0002801	0	0	0	0	0	0	0	0	0	0	0	0	0	3024.071551
1,3-dimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.395354467	0	0	0	-0.310738551	0	0	0	0	0	0	0	0	0	0	0	0	-0.464050732	0	0	0	0	0	0	0	0	0	0.000126982	0	0	0	0	0	0	0	0	0	0	0	0	0	3022.56
1-ethyl-3-methylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.861474751	0	0	0	-0.235631647	0	0	0	0	0	0	0	0	0	0	0	0	-0.366540397	0	0	0	0	0	0	0	0	0	0.000195683	0	0	0	0	0	0	0	0	0	0	0	0	0	3026.872905
1,4-dimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.15271835	0	0	0	-0.317786891	0	0	0	0	0	0	0	0	0	0	0	0	-0.466972953	0	0	0	0	0	0	0	0	0	0.000127098	0	0	0	0	0	0	0	0	0	0	0	0	0	3021.76
1-ethyl-4-methylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.869489482	0	0	0	-0.250684613	0	0	0	0	0	0	0	0	0	0	0	0	-0.36759865	0	0	0	0	0	0	0	0	0	0.000194023	0	0	0	0	0	0	0	0	0	0	0	0	0	3028.359467
1,2,3-trimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.036901891	0	0	0	-0.385446363	0	0	0	0	0	0	0	0	0	0	0	0	-0.471682545	0	0	0	0	0	0	0	0	0	0.000236233	0	0	0	0	0	0	0	0	0	0	0	0	0	3012.89
1,2,4-trimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.346449664	0	0	0	-0.425541046	0	0	0	0	0	0	0	0	0	0	0	0	-0.469420244	0	0	0	0	0	0	0	0	0	0.000182783	0	0	0	0	0	0	0	0	0	0	0	0	0	3017.29
1,3,5-trimethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-2.143999194	0	0	0	-0.440443259	0	0	0	0	0	0	0	0	0	0	0	0	-0.459852879	0	0	0	0	0	0	0	0	0	0.000121823	0	0	0	0	0	0	0	0	0	0	0	0	0	3019.29
1,2,4,5-tetramethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.514822149	0	0	0	-0.541069491	0	0	0	0	0	0	0	0	0	0	0	0	-0.234745254	0	0	0	0	0	0	0	0	0	0.000242473	0	0	0	0	0	0	0	0	0	0	0	0	0	3014.02
pentamethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-1.015427218	0	0	0	-0.603413548	0	0	0	0	0	0	0	0	0	0	0	0	-0.234839727	0	0	0	0	0	0	0	0	0	0.000442371	0	0	0	0	0	0	0	0	0	0	0	0	0	2997.65
hexamethylbenzene	0	0	6	0	0	0	0	0	0	0	0	-0.946127958	0	0	0	-0.526576701	0	0	0	0	0	0	0	0	0	0	0	0	-0.466800567	0	0	0	0	0	0	0	0	0	0.000704623	0	0	0	0	0	0	0	0	0	0	0	0	0	2971.38
